Compound Identification
SMILES
CC1=CC=CC(C(=O)NC2=NN=C(S2)C(F)(F)F)=C1[N+]([O-])=O
InChIKey
InChIKey=KAWSFTPDAAKOMJ-UHFFFAOYSA-N
Formula
C11H7F3N4O3S
Mass
332.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
m-Toluamides Benzamides Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides Alkyl fluorides Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - M-toluamide - Toluamide - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - Azole - Thiadiazole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organofluoride - Organohalogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available